4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine

C15H12BrClN2OS — CID 103320225

IUPAC4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccc(Br)c(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C15H12BrClN2OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-4-5-12(16)8(2)6-9/h4-7H,3H2,1-2H3
InChIKeyQQUVVOHWUBNRHG-UHFFFAOYSA-N
MW383.70 g/mol
LogP5.77
Rot. Bonds3

About 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine

4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103320225) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103320225
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC Name4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3ccc(Br)c(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C15H12BrClN2OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-4-5-12(16)8(2)6-9/h4-7H,3H2,1-2H3
InChIKeyQQUVVOHWUBNRHG-UHFFFAOYSA-N
XLogP5.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.70
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
CID 103320133
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
CID 83132767
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
CID 39187548
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine (CID 103320225) is 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Oc3ccc(Br)c(C)c3)nc(Cl)nc2s1.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is QQUVVOHWUBNRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-4-5-12(16)8(2)6-9/h4-7H,3H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine?
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 383.70 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).